3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-N-[3-(morpholin-4-yl)propyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-N-[3-(morpholin-4-yl)propyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-N-[3-(morpholin-4-yl)propyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K892-0294 |
| Compound Name: | 3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-N-[3-(morpholin-4-yl)propyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 518.03 |
| Molecular Formula: | C24 H28 Cl N5 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C=Nc2c(C1=O)c(C)c(C(NCCCN1CCOCC1)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5855 |
| logD: | 2.1973 |
| logSw: | -3.4976 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.536 |
| InChI Key: | JMFSJTGNJCJGLM-UHFFFAOYSA-N |